Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | IRAK4 | Q9NWZ3 | 6/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.41 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | LYN | P07948 | 1/20 | 0.41 |
| ▸ | MET | P08581 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | KIT | P10721 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28523429 | 0.90 | SLC6A4 (0.46) | HRH3CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL27709432 | 0.84 | CYP2D6 (0.65) | HRH3CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL10836464 | 0.81 | HRH3 (0.52) | HRH3CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL2874610 | 0.81 | HRH3 (0.52) | HRH3CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL2876268 | 0.81 | HRH3 (0.52) | HRH3CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL519944 | 0.81 | HRH3 (0.52) | HRH3CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL4612961 | 0.81 | L3MBTL3 (0.56) | HRH3L3MBTL3L3MBTL1OPRL1 | |
| SCHEMBL2383142 | 0.79 | KCNH2 (0.37) | HRH3CYP3A4CYP2C9SMN1; SMN2SLC18A3 | |
| SCHEMBL1443782 | 0.78 | HRH3 (0.49) | HRH3CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL28770195 | 0.77 | HRH3 (0.44) | HRH3CYP3A4CYP2C9CYP2D6CYP2C19 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2545047-A1 | HETEROCYCLIC INHIBITORS OF GLUTAMINYL CYCLASE (QC, EC 2.3.2.5) | Probiodrug AG (DE) | 2013-01-16 | — | — | EP | disclosed |
| WO-2011110613-A1 | HETEROCYCLIC INHIBITORS OF GLUTAMINYL CYCLASE (QC, EC 2.3.2.5) | PROBIODRUG AG (DE) | 2011-09-15 | — | — | WO | disclosed |